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1-(4-Methylphenyl)-2-methylthio-5-phenyl-1,3,4-triazo[3,2-c]quinazoline iodide

View entire compound with spectra: 1 MS (GC)

1-(4-Methylphenyl)-2-methylthio-5-phenyl-1,3,4-triazo[3,2-c]quinazoline iodide
SpectraBase Compound ID Jn5bDrLWPYJ
InChI InChI=1S/C23H19N4S.HI/c1-16-12-14-18(15-13-16)26-22-19-10-6-7-11-20(19)24-21(17-8-4-3-5-9-17)27(22)25-23(26)28-2;/h3-15H,1-2H3;1H/q+1;/p-1
InChIKey JJFCCTWJRLLBPC-UHFFFAOYSA-M
Mol Weight 510.4 g/mol
Molecular Formula C23H19IN4S
Exact Mass 510.037513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2TynnP5kMUG
Name 1-(4-Methylphenyl)-2-methylthio-5-phenyl-1,3,4-triazo[3,2-c]quinazoline iodide
Alternate Name(s) 1-(4-Methylphenyl)-2-(methylsulfanyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-c]quinazolin-4-ium iodide 1-(4-Methylphenyl)-5-phenyl-2-methylmercapto-1,3,4-triazolo[3,2-c]quinazolin-4-ium iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19IN4S
InChI InChI=1S/C23H19N4S.HI/c1-16-12-14-18(15-13-16)26-22-19-10-6-7-11-20(19)24-21(17-8-4-3-5-9-17)27(22)25-23(26)28-2;/h3-15H,1-2H3;1H/q+1;/p-1
InChIKey JJFCCTWJRLLBPC-UHFFFAOYSA-M
Molecular Weight 510.397 g/mol
SMILES [I-].c12[n+](nc([n]2-c2ccc(C)cc2)SC)c(nc2ccccc12)-c1ccccc1
SPLASH splash10-054o-3933000000-4063d55716bba62cce89
Source of Spectrum SO-0-883-5
Wiley ID 1538240